[6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-methylpyrimidin-4-yl]hydrazine

C9H12N8S — CID 80930542

IUPAC[6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-methylpyrimidin-4-yl]hydrazine
SMILESCc1c(NN)ncnc1Sc1nnnn1C1CC1
InChIInChI=1S/C9H12N8S/c1-5-7(13-10)11-4-12-8(5)18-9-14-15-16-17(9)6-2-3-6/h4,6H,2-3,10H2,1H3,(H,11,12,13)
InChIKeyLXVBXKBVYMHAIM-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.54
Rot. Bonds4

About [6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-methylpyrimidin-4-yl]hydrazine

[6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-methylpyrimidin-4-yl]hydrazine (PubChem CID 80930542) has the molecular formula C9H12N8S and a molecular weight of 264.32 g/mol. Its IUPAC name is [6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-methylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-methylpyrimidin-4-yl]hydrazine
PubChem CID80930542
Molecular FormulaC9H12N8S
Molecular Weight264.32 g/mol
Exact Mass264.09
IUPAC Name[6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-methylpyrimidin-4-yl]hydrazine
SMILESCc1c(NN)ncnc1Sc1nnnn1C1CC1
InChIInChI=1S/C9H12N8S/c1-5-7(13-10)11-4-12-8(5)18-9-14-15-16-17(9)6-2-3-6/h4,6H,2-3,10H2,1H3,(H,11,12,13)
InChIKeyLXVBXKBVYMHAIM-UHFFFAOYSA-N
XLogP0.54
TPSA107.43 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-methylpyrimidin-4-yl]hydrazine with MolForge

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Related Compounds

6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N,5-dimethylpyrimidin-4-amine
CID 80893668
6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-ethyl-5-methylpyrimidin-4-amine
CID 80894072
6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-methylpyrimidin-4-amine
CID 80893018
6-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-methyl-5-nitropyrimidin-4-amine
CID 38741243
6-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-ethyl-N-methylpyrimidin-4-amine
CID 80870012
4-cyclopropyl-3-(6-hydrazinyl-5-methylpyrimidin-4-yl)sulfanyl-1H-1,2,4-triazol-5-one
CID 80929023
5-bromo-4-(1-cyclopropyltetrazol-5-yl)sulfanylpyrimidine
CID 66320984
2-(1-cyclopropyltetrazol-5-yl)sulfanylpyrimidin-5-amine
CID 61146777
4-chloro-6-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-propylpyrimidine
CID 63733312
6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-methylpyridine-3-carbaldehyde
CID 80639438
methyl 5-amino-6-(1-cyclopropyltetrazol-5-yl)sulfanylpyridine-2-carboxylate
CID 114409394
4-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-methylpyrimidine-5-carboxylic acid
CID 114214948

Frequently Asked Questions

What is the IUPAC name of [6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-methylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-methylpyrimidin-4-yl]hydrazine (CID 80930542) is [6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-methylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-methylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-methylpyrimidin-4-yl]hydrazine is Cc1c(NN)ncnc1Sc1nnnn1C1CC1.
What is the InChIKey of [6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-methylpyrimidin-4-yl]hydrazine?
The InChIKey is LXVBXKBVYMHAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N8S/c1-5-7(13-10)11-4-12-8(5)18-9-14-15-16-17(9)6-2-3-6/h4,6H,2-3,10H2,1H3,(H,11,12,13).
What are the key properties of [6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-methylpyrimidin-4-yl]hydrazine?
[6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-methylpyrimidin-4-yl]hydrazine has a molecular weight of 264.32 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-methylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80930542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).